> How to calculate the formation energy of Hybrid halide perovskite > compounds with WIEN2K. > > Compound- ABX3 > fomation eneergy A , B & X ?
This is not a wien2k-specific question. The answer will be the same for any DFT code. The general case is discussed in the chapter on geometry optimization/phase diagrams of this online course: www.compmatphys.org<http://www.compmatphys.org>. Stefaan
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